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· · COA & SDS available for every product · Same-day shipping on in-stock items Mespirenone , CAS No.87952-98-5
Synonyms
15.ALPHA.,16.ALPHA.-DIHYDRO-17-HYDROXY-7.ALPHA.-MERCAPTO-3-OXO-3'H-CYCLOPROPA(15,16)-17.ALPHA.-PREGNA-1,4,15-TRIENE-21-CARBOXYLIC ACID, G-LACTONE, ACETATE | 15alpha,16alpha-Dihydro-17-hydroxy-7alpha-mercapto-3-oxo-3'H-cyclopropa(15,16)-17alpha-pregna-1,4,
Shipped In
Ice chest + Ice pads
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview A new mineralocorticoid antagonist. Has an inhibition effect on aldosterone-induced hypertension.
Specifications Synonyms
15.ALPHA., 16.ALPHA.-DIHYDRO-17-HYDROXY-7.ALPHA.-MERCAPTO-3-OXO-3'H-CYCLOPROPA(15, 16)-17.ALPHA.-PREGNA-1, 4, 15-TRIENE-21-CARBOXYLIC ACID, G-LACTONE, ACETATE | 15alpha, 16alpha-Dihydro-17-hydroxy-7alpha-mercapto-3-oxo-3'H-cyclopropa(15, 16)-17alpha-pregna-1, 4,
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles CC(=O)SC1CC2=CC(=O)C=CC2(C3C1C4C5CC5C6(C4(CC3)C)CCC(=O)O6)C IUPAC Name S-[(1'R,2S,2'S,3'S,5'S,7'S,10'S,11'R,18'R)-7',11'-dimethyl-5,14'-dioxospiro[oxolane-2,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-12,15-diene]-18'-yl] ethanethioate InChIKey CPHJTSJQUQZOLJ-ISIDMKFXSA-N INCHI 1S/C25H30O4S/c1-13(26)30-19-11-14-10-15(27)4-7-23(14,2)17-5-8-24(3)22(21(17)19)16-12-18(16)25(24)9-6-20(28)29-25/h4,7,10,16-19,21-22H,5-6,8-9,11-12H2,1-3H3/t16-,17+,18+,19-,21+,22+,23+,24+,25+/m1/s1 Isomeric SMILES CC(=O)S[C@@H]1CC2=CC(=O)C=C[C@@]2([C@@H]3[C@@H]1[C@@H]4[C@@H]5C[C@@H]5[C@]6([C@]4(CC3)C)CCC(=O)O6)C Molecular Weight 426.57 Reaxy-Rn 24739764 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24739764&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Lipids and lipid-like molecules Class Steroids and steroid derivatives Subclass Steroid lactones Intermediate Tree Nodes Not available Direct Parent Spironolactones and derivatives Alternative Parents 3-oxo delta-1,4-steroids Delta-1,4-steroids Gamma butyrolactones Tetrahydrofurans Thioesters Cyclic ketones Carboxylic acid esters Carbothioic S-esters Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Molecular Framework Aliphatic heteropolycyclic compounds Substituents Spironolactone - 3-oxo-delta-1,4-steroid - 3-oxosteroid - Oxosteroid - Delta-1,4-steroid - Gamma butyrolactone - Tetrahydrofuran - Carboxylic acid ester - Carbothioic s-ester - Ketone - Lactone - Cyclic ketone - Thiocarboxylic acid ester - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Thiocarboxylic acid or derivatives - Organoheterocyclic compound - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aliphatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as spironolactones and derivatives. These are steroid lactones with a structure based on the spironolactone skeleton. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 426.600 g/mol XLogP3 3.900 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 2 Exact Mass 426.186 Da Monoisotopic Mass 426.186 Da Topological Polar Surface Area 85.700 Ų Heavy Atom Count 30 Formal Charge 0 Complexity 935.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 9 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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